N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylideneamino]-2-cyclopropylquinoline-4-carboxamide

C23H22N4O4 — CID 1388519

IUPACN-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylideneamino]-2-cyclopropylquinoline-4-carboxamide
SMILESCOc1cc(C=NNC(=O)c2cc(C3CC3)nc3ccccc23)ccc1OCC(N)=O
InChIInChI=1S/C23H22N4O4/c1-30-21-10-14(6-9-20(21)31-13-22(24)28)12-25-27-23(29)17-11-19(15-7-8-15)26-18-5-3-2-4-16(17)18/h2-6,9-12,15H,7-8,13H2,1H3,(H2,24,28)(H,27,29)
InChIKeyKWAMXOJVIOGZAI-UHFFFAOYSA-N
MW418.45 g/mol
LogP2.75
Rot. Bonds8

About N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylideneamino]-2-cyclopropylquinoline-4-carboxamide

N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylideneamino]-2-cyclopropylquinoline-4-carboxamide (PubChem CID 1388519) has the molecular formula C23H22N4O4 and a molecular weight of 418.45 g/mol. Its IUPAC name is N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylideneamino]-2-cyclopropylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylideneamino]-2-cyclopropylquinoline-4-carboxamide
PubChem CID1388519
Molecular FormulaC23H22N4O4
Molecular Weight418.45 g/mol
Exact Mass418.16
IUPAC NameN-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylideneamino]-2-cyclopropylquinoline-4-carboxamide
SMILESCOc1cc(C=NNC(=O)c2cc(C3CC3)nc3ccccc23)ccc1OCC(N)=O
InChIInChI=1S/C23H22N4O4/c1-30-21-10-14(6-9-20(21)31-13-22(24)28)12-25-27-23(29)17-11-19(15-7-8-15)26-18-5-3-2-4-16(17)18/h2-6,9-12,15H,7-8,13H2,1H3,(H2,24,28)(H,27,29)
InChIKeyKWAMXOJVIOGZAI-UHFFFAOYSA-N
XLogP2.75
TPSA115.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylideneamino]-2-cyclopropylquinoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[2-methoxy-4-[(E)-[(2-phenylquinoline-4-carbonyl)hydrazinylidene]methyl]phenoxy]acetate
CID 126045980
2-cyclopropyl-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 135549800
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-(3-methylphenyl)quinoline-4-carboxamide
CID 6873433
2-cyclopropyl-N-[(E)-(3,5-dichlorophenyl)methylideneamino]quinoline-4-carboxamide
CID 45108999
N-[(Z)-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide
CID 7912847
2-cyclopropyl-N-[(E)-furan-3-ylmethylideneamino]quinoline-4-carboxamide
CID 6875010
N-[(Z)-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylideneamino]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
CID 7929253
N-[(E)-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126047111
N-[(E)-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126046797
N-[(E)-(3,4-dichlorophenyl)methylideneamino]-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide
CID 6873349
2-cyclopropyl-N-[(E)-(3-nitrophenyl)methylideneamino]quinoline-4-carboxamide
CID 6884339
N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide
CID 8973347

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylideneamino]-2-cyclopropylquinoline-4-carboxamide?
The IUPAC name of N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylideneamino]-2-cyclopropylquinoline-4-carboxamide (CID 1388519) is N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylideneamino]-2-cyclopropylquinoline-4-carboxamide.
What is the SMILES notation for N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylideneamino]-2-cyclopropylquinoline-4-carboxamide?
The canonical SMILES for N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylideneamino]-2-cyclopropylquinoline-4-carboxamide is COc1cc(C=NNC(=O)c2cc(C3CC3)nc3ccccc23)ccc1OCC(N)=O.
What is the InChIKey of N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylideneamino]-2-cyclopropylquinoline-4-carboxamide?
The InChIKey is KWAMXOJVIOGZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4/c1-30-21-10-14(6-9-20(21)31-13-22(24)28)12-25-27-23(29)17-11-19(15-7-8-15)26-18-5-3-2-4-16(17)18/h2-6,9-12,15H,7-8,13H2,1H3,(H2,24,28)(H,27,29).
What are the key properties of N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylideneamino]-2-cyclopropylquinoline-4-carboxamide?
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylideneamino]-2-cyclopropylquinoline-4-carboxamide has a molecular weight of 418.45 g/mol, XLogP of 2.75, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylideneamino]-2-cyclopropylquinoline-4-carboxamide is sourced from PubChem (CID 1388519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).